5NZM

Crystal structure of UDP-glucose pyrophosphorylase from Leishmania major in complex with murrayamine-I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.00
Spacegroup name	P 43
Unit cell lengths	95.110, 95.110, 72.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.359 - 2.350
R-factor	0.2021
Rwork	0.201
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oef
RMSD bond length	0.003
RMSD bond angle	0.663
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	AMoRE
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.450
High resolution limit [Å]	2.350	2.350
Number of reflections	27167	3182
<I/σ(I)>	15.98	2.38
Completeness [%]	100.0	99.9
Redundancy	12.17

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	2.25 M ammonium sulfate, 100 mM Tris-HCl pH 7.2, 0.1% Tween 80